2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]methoxy]phenoxy]acetic acid

C30H24N2O5 — CID 44626981

IUPAC2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]methoxy]phenoxy]acetic acid
SMILESCc1cc(OCc2nc(-c3cccnc3)c(-c3ccc(-c4ccccc4)cc3)o2)ccc1OCC(=O)O
InChIInChI=1S/C30H24N2O5/c1-20-16-25(13-14-26(20)36-19-28(33)34)35-18-27-32-29(24-8-5-15-31-17-24)30(37-27)23-11-9-22(10-12-23)21-6-3-2-4-7-21/h2-17H,18-19H2,1H3,(H,33,34)
InChIKeyJJRIABUJBAYSFI-UHFFFAOYSA-N
MW492.53 g/mol
LogP6.42
Rot. Bonds9

About 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]methoxy]phenoxy]acetic acid

2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]methoxy]phenoxy]acetic acid (PubChem CID 44626981) has the molecular formula C30H24N2O5 and a molecular weight of 492.53 g/mol. Its IUPAC name is 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]methoxy]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]methoxy]phenoxy]acetic acid
PubChem CID44626981
Molecular FormulaC30H24N2O5
Molecular Weight492.53 g/mol
Exact Mass492.17
IUPAC Name2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]methoxy]phenoxy]acetic acid
SMILESCc1cc(OCc2nc(-c3cccnc3)c(-c3ccc(-c4ccccc4)cc3)o2)ccc1OCC(=O)O
InChIInChI=1S/C30H24N2O5/c1-20-16-25(13-14-26(20)36-19-28(33)34)35-18-27-32-29(24-8-5-15-31-17-24)30(37-27)23-11-9-22(10-12-23)21-6-3-2-4-7-21/h2-17H,18-19H2,1H3,(H,33,34)
InChIKeyJJRIABUJBAYSFI-UHFFFAOYSA-N
XLogP6.42
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.53
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]methoxy]phenoxy]acetic acid?
The IUPAC name of 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]methoxy]phenoxy]acetic acid (CID 44626981) is 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]methoxy]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]methoxy]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]methoxy]phenoxy]acetic acid is Cc1cc(OCc2nc(-c3cccnc3)c(-c3ccc(-c4ccccc4)cc3)o2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]methoxy]phenoxy]acetic acid?
The InChIKey is JJRIABUJBAYSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O5/c1-20-16-25(13-14-26(20)36-19-28(33)34)35-18-27-32-29(24-8-5-15-31-17-24)30(37-27)23-11-9-22(10-12-23)21-6-3-2-4-7-21/h2-17H,18-19H2,1H3,(H,33,34).
What are the key properties of 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]methoxy]phenoxy]acetic acid?
2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]methoxy]phenoxy]acetic acid has a molecular weight of 492.53 g/mol, XLogP of 6.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]methoxy]phenoxy]acetic acid is sourced from PubChem (CID 44626981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).